SCHEMBL12845495

SCHEMBL12845495

N#Cc1ccc(-n2nc(Nc3ccccc3I)nc2N)nc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 15/20 0.77
IRAK4 Q9NWZ3 8/20 0.77
KIT P10721 10/20 0.52
AURKA O14965 4/20 0.52
AXL P30530 3/20 0.37
JAK2 O60674 2/20 0.37
BACE1 P56817 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4040821 0.87 FLT3 (1.00) FLT3IRAK4KITAURKAAXL
SCHEMBL4042466 0.87 FLT3 (0.77) FLT3IRAK4KITAURKAAXL
SCHEMBL4039373 0.84 FLT3 (0.72) FLT3IRAK4KITAURKAAXL
SCHEMBL12845286 0.80 FLT3 (0.73) FLT3IRAK4KITAURKAAXL
SCHEMBL4041596 0.76 FLT3 (0.64) FLT3IRAK4KITAURKAAXL
SCHEMBL4036447 0.76 FLT3 (0.72) FLT3IRAK4KITAURKAAXL
SCHEMBL4038250 0.74 FLT3 (0.59) FLT3IRAK4KITAURKAAXL
SCHEMBL4038580 0.73 FLT3 (0.57) FLT3IRAK4KITAURKAJAK2
SCHEMBL4043484 0.72 FLT3 (0.57) FLT3IRAK4KITAURKAAXL
SCHEMBL4041686 0.72 FLT3 (0.66) FLT3IRAK4KITAURKAAXL

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902239-B2 Diaminotriazoles useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-08 US disclosed
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080014189-A1 DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K5 FLT3 220/4885IRAK4 566/4885KIT 1144/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.